1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine

C16H22N2OS — CID 79819973

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
SMILESCC(C)(C)c1csc(CC(N)COc2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)14-11-20-15(18-14)9-12(17)10-19-13-7-5-4-6-8-13/h4-8,11-12H,9-10,17H2,1-3H3
InChIKeyUZGBUWXWDCCRGA-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine (PubChem CID 79819973) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
PubChem CID79819973
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
SMILESCC(C)(C)c1csc(CC(N)COc2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)14-11-20-15(18-14)9-12(17)10-19-13-7-5-4-6-8-13/h4-8,11-12H,9-10,17H2,1-3H3
InChIKeyUZGBUWXWDCCRGA-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169535
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
CID 79825542
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195130
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
4-tert-butyl-2-(3-chloro-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846384
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79820349

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine (CID 79819973) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine is CC(C)(C)c1csc(CC(N)COc2ccccc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine?
The InChIKey is UZGBUWXWDCCRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)14-11-20-15(18-14)9-12(17)10-19-13-7-5-4-6-8-13/h4-8,11-12H,9-10,17H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 79819973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).